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Materials Data on Pd3N by Materials Project

Pd3N is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent N atoms to form distorted PdPd8N4 cuboctahedra that share corners with twelve equivalent PdPd8N4 cuboctahedra, edges with eight equivalent NPd12 cuboctahedra, edges with sixteen equivalent PdPd8N4 cuboctahedra, faces with four equivalent NPd12 cuboctahedra, and faces with fourteen equivalent PdPd8N4 cuboctahedra. All Pd–Pd bond lengths are 2.71 Å. All Pd–N bond lengths are 2.71 Å. N is bonded to twelve equivalent Pd atoms to form NPd12 cuboctahedra that share corners with twelve equivalent NPd12 cuboctahedra, edges with twenty-four equivalent PdPd8N4 cuboctahedra, faces with six equivalent NPd12 cuboctahedra, and faces with twelve equivalent PdPd8N4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Pd3N by Materials Project

Pd3N is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded in a linear geometry to two equivalent N atoms. Both Pd–N bond lengths are 2.04 Å. N is bonded to six equivalent Pd atoms to form corner-sharing NPd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Pd3N by Materials Project

Pd3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pd–Pd bond lengths are 2.62 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent N atoms to form a mixture of distorted edge, face, and corner-sharing PdPd4N4 tetrahedra. All Pd–N bond lengths are 2.62 Å. N is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗